3-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide
Chemical Structure Depiction of
3-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide
3-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide
Compound characteristics
| Compound ID: | D433-1020 |
| Compound Name: | 3-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1cccc(c1)OC)=O)c1cccc(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8521 |
| logD: | 0.1995 |
| logSw: | -3.3172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.891 |
| InChI Key: | TXKMQWRKJSSHMN-UHFFFAOYSA-N |